Geometry & MOs

Info

ID:	67035
PubChem CID:	46505739
Reduced:	Br2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	491.97587
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	2.66
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-2,6-bis[(5-bromo-2-methoxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)/C(=C/C3=C(C=CC(=C3)Br)OC)/CC2

DOS

IR

Vibrations